2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol

C12H12ClN3O2 — CID 86753852

IUPAC2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
SMILESOCCOc1ccc(Nc2cc(Cl)ncn2)cc1
InChIInChI=1S/C12H12ClN3O2/c13-11-7-12(15-8-14-11)16-9-1-3-10(4-2-9)18-6-5-17/h1-4,7-8,17H,5-6H2,(H,14,15,16)
InChIKeyLHCLDFZOOKTLLQ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.24
Rot. Bonds5

About 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol

2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol (PubChem CID 86753852) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
PubChem CID86753852
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
SMILESOCCOc1ccc(Nc2cc(Cl)ncn2)cc1
InChIInChI=1S/C12H12ClN3O2/c13-11-7-12(15-8-14-11)16-9-1-3-10(4-2-9)18-6-5-17/h1-4,7-8,17H,5-6H2,(H,14,15,16)
InChIKeyLHCLDFZOOKTLLQ-UHFFFAOYSA-N
XLogP2.24
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 56804897
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
3-[4-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenoxy]propan-1-ol
CID 70187799
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine
CID 106973321
2-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenoxy]-N-methylacetamide
CID 70186989
2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol
CID 133329764

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol?
The IUPAC name of 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol (CID 86753852) is 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol is OCCOc1ccc(Nc2cc(Cl)ncn2)cc1.
What is the InChIKey of 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol?
The InChIKey is LHCLDFZOOKTLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-11-7-12(15-8-14-11)16-9-1-3-10(4-2-9)18-6-5-17/h1-4,7-8,17H,5-6H2,(H,14,15,16).
What are the key properties of 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol?
2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol has a molecular weight of 265.70 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol is sourced from PubChem (CID 86753852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).